2-(4-hydroxybenzoyl)benzoic acid

C14H10O4 — CID 6814

IUPAC2-(4-hydroxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)
InChIKeyYGTUPRIZNBMOFV-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-hydroxybenzoyl)benzoic acid

2-(4-hydroxybenzoyl)benzoic acid (PubChem CID 6814) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(4-hydroxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-hydroxybenzoyl)benzoic acid
PubChem CID6814
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name2-(4-hydroxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)
InChIKeyYGTUPRIZNBMOFV-UHFFFAOYSA-N
XLogP2.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
4'-Hydroxyacetophenone
CID 7469
4,4'-Dihydroxybenzophenone
CID 69150
4-Hydroxybenzophenone
CID 14347
4'-Hydroxypropiophenone
CID 6271
2,6-Dihydroxyanthraquinone
CID 6776
4'-Hydroxychalcone
CID 5282362
2-Carboxy-gamma-oxobenzenebutanoic acid
CID 955
4-Hydroxychalcone
CID 5282361
2-Hydroxyanthraquinone
CID 11796
Phenolphthalin
CID 66494
2-Benzoylbenzoic Acid
CID 6813

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybenzoyl)benzoic acid?
The IUPAC name of 2-(4-hydroxybenzoyl)benzoic acid (CID 6814) is 2-(4-hydroxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-hydroxybenzoyl)benzoic acid?
The canonical SMILES for 2-(4-hydroxybenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxybenzoyl)benzoic acid?
The InChIKey is YGTUPRIZNBMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18).
What are the key properties of 2-(4-hydroxybenzoyl)benzoic acid?
2-(4-hydroxybenzoyl)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybenzoyl)benzoic acid is sourced from PubChem (CID 6814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).